azane;N-ethylethanamine;phthalic acid

C12H20N2O4 — CID 18421183

IUPACazane;N-ethylethanamine;phthalic acid
SMILESCCNCC.N.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C4H11N.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-5-4-2;/h1-4H,(H,9,10)(H,11,12);5H,3-4H2,1-2H3;1H3
InChIKeyWDFMWSBHUZRRDJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.86
Rot. Bonds4

About azane;N-ethylethanamine;phthalic acid

azane;N-ethylethanamine;phthalic acid (PubChem CID 18421183) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is azane;N-ethylethanamine;phthalic acid.

Molecular Properties

Compound Nameazane;N-ethylethanamine;phthalic acid
PubChem CID18421183
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameazane;N-ethylethanamine;phthalic acid
SMILESCCNCC.N.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C4H11N.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-5-4-2;/h1-4H,(H,9,10)(H,11,12);5H,3-4H2,1-2H3;1H3
InChIKeyWDFMWSBHUZRRDJ-UHFFFAOYSA-N
XLogP1.86
TPSA121.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze azane;N-ethylethanamine;phthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;N-ethylethanamine;phthalic acid?
The IUPAC name of azane;N-ethylethanamine;phthalic acid (CID 18421183) is azane;N-ethylethanamine;phthalic acid.
What is the SMILES notation for azane;N-ethylethanamine;phthalic acid?
The canonical SMILES for azane;N-ethylethanamine;phthalic acid is CCNCC.N.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of azane;N-ethylethanamine;phthalic acid?
The InChIKey is WDFMWSBHUZRRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C4H11N.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-5-4-2;/h1-4H,(H,9,10)(H,11,12);5H,3-4H2,1-2H3;1H3.
What are the key properties of azane;N-ethylethanamine;phthalic acid?
azane;N-ethylethanamine;phthalic acid has a molecular weight of 256.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-ethylethanamine;phthalic acid is sourced from PubChem (CID 18421183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).